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methyl 2-({[(1-cyclohexyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)benzoate
SpectraBase Compound ID 1GtOl1cudlZ
InChI InChI=1S/C17H21N5O3S/c1-25-16(24)13-9-5-6-10-14(13)18-15(23)11-26-17-19-20-21-22(17)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,23)
InChIKey CJHKMXYUYCYVEF-UHFFFAOYSA-N
Mol Weight 375.45 g/mol
Molecular Formula C17H21N5O3S
Exact Mass 375.136511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID INbaVYUmGFv
Name methyl 2-({[(1-cyclohexyl-1H-tetraazol-5-yl)sulfanyl]acetyl}amino)benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H21N5O3S/c1-25-16(24)13-9-5-6-10-14(13)18-15(23)11-26-17-19-20-21-22(17)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,18,23)
InChIKey CJHKMXYUYCYVEF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22071
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D58601; Labnumber: SPLUK-0929; SBI_ID: SBI-022075
Temperature 308 °C